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BDBM50286343 (R)-N*1*-[(S)-1-(4-Dimethylaminomethyl-benzylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-N*4*-hydroxy-2-isobutyl-succinamide::CHEMBL324023

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(CN(C)C)cc1

InChI Key: InChIKey=HJJLCNFQOOPRBA-GJZUVCINSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286343   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286343
PNG
((R)-N*1*-[(S)-1-(4-Dimethylaminomethyl-benzylcarba...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C29H39N5O4/c1-19(2)13-22(15-27(35)33-38)28(36)32-26(14-23-17-30-25-8-6-5-7-24(23)25)29(37)31-16-20-9-11-21(12-10-20)18-34(3)4/h5-12,17,19,22,26,30,38H,13-16,18H2,1-4H3,(H,31,37)(H,32,36)(H,33,35)/t22-,26+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair